5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine

C11H12FN3 — CID 81477955

IUPAC5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1cccc(-c2[nH]nc(N)c2C)c1F
InChIInChI=1S/C11H12FN3/c1-6-4-3-5-8(9(6)12)10-7(2)11(13)15-14-10/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyHXEISABGCOUPQP-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.41
Rot. Bonds1

About 5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine

5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine (PubChem CID 81477955) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine
PubChem CID81477955
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine
SMILESCc1cccc(-c2[nH]nc(N)c2C)c1F
InChIInChI=1S/C11H12FN3/c1-6-4-3-5-8(9(6)12)10-7(2)11(13)15-14-10/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyHXEISABGCOUPQP-UHFFFAOYSA-N
XLogP2.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine (CID 81477955) is 5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine is Cc1cccc(-c2[nH]nc(N)c2C)c1F.
What is the InChIKey of 5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine?
The InChIKey is HXEISABGCOUPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-6-4-3-5-8(9(6)12)10-7(2)11(13)15-14-10/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine?
5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine has a molecular weight of 205.24 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-methylphenyl)-4-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 81477955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).